[(2R,3R,4R,5S,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-oxidanyl-6-phenylsulfanyl-oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-oxidanyl-6-phenylsulfanyl-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5S,6S)-3-acetoxy-2-(acetoxymethyl)-5-hydroxy-6-phenylsulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-hydroxy-6-(phenylthio)-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-hydroxy-6-phenylsulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S,6S)-3-acetoxy-2-(acetoxymethyl)-5-hydroxy-6-(phenylthio)tetrahydropyran-4-yl] ester Formula: C23H24O8S MolecularWeight: 460.49686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)SC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C23H24O8S/c1-14(24)28-13-18-20(29-15(2)25)21(31-22(27)16-9-5-3-6-10-16)19(26)23(30-18)32-17-11-7-4-8-12-17/h3-12,18-21,23,26H,13H2,1-2H3/t18-,19+,20-,21-,23+/m1/s1